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Chemical ID: 7496003
Chemical ID:
7496003
Name [?]:
N-ethyl-2-[2-(4-phenylphenoxy)acetyl]amino-benzamide
SMILES [?]:
CCNC(=O)c1ccccc1NC(=O)COc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-2-24-23(27)20-10-6-7-11-21(20)25-22(26)16-28-19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,8,9,24,28,7,10,19,21,18,22,15,23,20,17,6,11,13,4,3,12,14,5,16/E:(4,5)(8,9)(12,13)(14,15)/rA:28nCCNCOCCCCCCNCOCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9409 |
Area: | 624.765 |
Solvation: | -4.67826 |
Coulombic: | -52.6001 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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